SCHEMBL6086232

SCHEMBL6086232

COC1=C(C(C)C)C(=O)CCC1

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13562166 0.71 TP53 (0.32)
SCHEMBL4212579 0.71 RXRA (0.36)
SCHEMBL12871708 0.71 ELANE (0.36) ELANE
SCHEMBL12267885 0.70 MAPT (0.45)
SCHEMBL19846937 0.70 TP53 (0.31)
SCHEMBL10881461 0.70 ALDH1A1 (0.32)
SCHEMBL1912779 0.70 BRD4 (0.32)
SCHEMBL16201624 0.69 CDC25A (0.32)
SCHEMBL12633924 0.69
SCHEMBL7923923 0.65 EGFR (0.34)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1741428-A2 Cell adhesion inhibitors Biogen Idec MA, Inc. (US) 2007-01-10 EP disclosed
US-6982260-B1 Quinazolines and their use for inhibiting cyclin-dependent kinase enzymes WARNER-LAMBERT COMPANY (US) 2006-01-03 US disclosed
EP-1235815-A1 QUINAZOLINES AND THEIR USE FOR INHIBITING CYCLIN-DEPENDENT KINASE ENZYMES WARNER-LAMBERT COMPANY (US) 2002-09-04 EP disclosed
WO-2001038315-A1 QUINAZOLINES AND THEIR USE FOR INHIBITING CYCLIN-DEPENDENT KINASE ENZYMES WARNER-LAMBERT COMPANY (US) 2001-05-31 WO disclosed